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D-6-Methyl-8-(beta-L-arabinopyranose-3,4-diacetate-1,2-orthoacetate-methyl)-ergolin-I
SpectraBase Compound ID EFIL77XVafk
InChI InChI=1S/C27H34N2O8/c1-14(30)34-22-13-32-26-25(24(22)35-15(2)31)36-27(3,37-26)33-12-16-8-19-18-6-5-7-20-23(18)17(10-28-20)9-21(19)29(4)11-16/h5-7,10,16,19,21-22,24-26,28H,8-9,11-13H2,1-4H3/t16-,19-,21-,22+,24+,25-,26-,27?/m1/s1
InChIKey FJTNYHMHHGADCN-IMSUEVQOSA-N
Mol Weight 514.6 g/mol
Molecular Formula C27H34N2O8
Exact Mass 514.231516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GcIyKArN2Pt
Name D-6-Methyl-8-(beta-L-arabinopyranose-3,4-diacetate-1,2-orthoacetate-methyl)-ergolin-I
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34N2O8
InChI InChI=1S/C27H34N2O8/c1-14(30)34-22-13-32-26-25(24(22)35-15(2)31)36-27(3,37-26)33-12-16-8-19-18-6-5-7-20-23(18)17(10-28-20)9-21(19)29(4)11-16/h5-7,10,16,19,21-22,24-26,28H,8-9,11-13H2,1-4H3/t16-,19-,21-,22+,24+,25-,26-,27?/m1/s1
InChIKey FJTNYHMHHGADCN-IMSUEVQOSA-N
Literature Reference DOI 10.1002/ardp.19843170702
Molecular Weight 514.575 g/mol
SMILES [nH]1cc2c3c(cccc13)[C@@]1([C@@](C2)(N(C[C@@](C1)(COC1(O[C@@]2([C@]([C@](CO[C@@]2(O1)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])C)[H])C)[H])[H]
SPLASH splash10-0a4l-0930000000-ffca8e0993ab273859b4
Source of Spectrum APC-317-582-14
Synonyms (3aR,6S,7S,7aR)-2-methyl-2-(((6aR,9R,10aR)-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinolin-9-yl)methoxy)tetrahydro-5H-[1,3]dioxolo[4,5-b]pyran-6,7-diyl diacetate
Wiley ID 1788174